5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(5-chloro-2-pyridinyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[hydroxy-(4-methylphenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione

C102H96Cl2F7N13O16 — CID 158260426

About 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(5-chloro-2-pyridinyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[hydroxy-(4-methylphenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione

5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(5-chloro-2-pyridinyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[hydroxy-(4-methylphenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 158260426) has the molecular formula C102H96Cl2F7N13O16 and a molecular weight of 1963.86 g/mol. Its IUPAC name is 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(5-chloro-2-pyridinyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[hydroxy-(4-methylphenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(5-chloro-2-pyridinyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[hydroxy-(4-methylphenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 158260426
• Molecular Formula: C102H96Cl2F7N13O16
• Molecular Weight: 1963.86 g/mol
• Exact Mass: 1961.64
• IUPAC Name: 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(5-chloro-2-pyridinyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[hydroxy-(4-methylphenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
• SMILES: Cc1ccc(C(O)c2c(-c3cccc(OC(F)(F)F)c3)cnc3c2c(=O)n(CCCO)c(=O)n3C)cc1.Cc1cccc(-c2cnc3c(c2Cc2ccccc2)c(=O)n(CCCO)c(=O)n3C)c1.Cn1c(=O)n(CCCO)c(=O)c2c(Cc3ccc(Cl)cc3)c(-c3cccc(OC(C)(F)F)c3)cnc21.Cn1c(=O)n(CCCO)c(=O)c2c(Cc3ccc(Cl)cn3)c(-c3cccc(OC(C)(F)F)c3)cnc21
• InChI: InChI=1S/C26H24ClF2N3O4.C26H24F3N3O5.C25H23ClF2N4O4.C25H25N3O3/c1-26(28,29)36-19-6-3-5-17(14-19)21-15-30-23-22(20(21)13-16-7-9-18(27)10-8-16)24(34)32(11-4-12-33)25(35)31(23)2;1-15-7-9-16(10-8-15)22(34)20-19(17-5-3-6-18(13-17)37-26(27,28)29)14-30-23-21(20)24(35)32(11-4-12-33)25(36)31(23)2;1-25(27,28)36-18-6-3-5-15(11-18)20-14-30-22-21(19(20)12-17-8-7-16(26)13-29-17)23(34)32(9-4-10-33)24(35)31(22)2;1-17-8-6-11-19(14-17)21-16-26-23-22(20(21)15-18-9-4-3-5-10-18)24(30)28(12-7-13-29)25(31)27(23)2/h3,5-10,14-15,33H,4,11-13H2,1-2H3;3,5-10,13-14,22,33-34H,4,11-12H2,1-2H3;3,5-8,11,13-14,33H,4,9-10,12H2,1-2H3;3-6,8-11,14,16,29H,7,12-13,15H2,1-2H3
• InChIKey: GHUQXSFAMGEEAN-UHFFFAOYSA-N
• XLogP: 14.63
• TPSA: 369.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 29
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1963.86
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(5-chloro-2-pyridinyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[hydroxy-(4-methylphenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?

The IUPAC name of 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(5-chloro-2-pyridinyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[hydroxy-(4-methylphenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 158260426) is 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(5-chloro-2-pyridinyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[hydroxy-(4-methylphenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione.

What is the SMILES notation for 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(5-chloro-2-pyridinyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[hydroxy-(4-methylphenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?

The canonical SMILES for 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(5-chloro-2-pyridinyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[hydroxy-(4-methylphenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione is Cc1ccc(C(O)c2c(-c3cccc(OC(F)(F)F)c3)cnc3c2c(=O)n(CCCO)c(=O)n3C)cc1.Cc1cccc(-c2cnc3c(c2Cc2ccccc2)c(=O)n(CCCO)c(=O)n3C)c1.Cn1c(=O)n(CCCO)c(=O)c2c(Cc3ccc(Cl)cc3)c(-c3cccc(OC(C)(F)F)c3)cnc21.Cn1c(=O)n(CCCO)c(=O)c2c(Cc3ccc(Cl)cn3)c(-c3cccc(OC(C)(F)F)c3)cnc21.

What is the InChIKey of 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(5-chloro-2-pyridinyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[hydroxy-(4-methylphenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?

The InChIKey is GHUQXSFAMGEEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF2N3O4.C26H24F3N3O5.C25H23ClF2N4O4.C25H25N3O3/c1-26(28,29)36-19-6-3-5-17(14-19)21-15-30-23-22(20(21)13-16-7-9-18(27)10-8-16)24(34)32(11-4-12-33)25(35)31(23)2;1-15-7-9-16(10-8-15)22(34)20-19(17-5-3-6-18(13-17)37-26(27,28)29)14-30-23-21(20)24(35)32(11-4-12-33)25(36)31(23)2;1-25(27,28)36-18-6-3-5-15(11-18)20-14-30-22-21(19(20)12-17-8-7-16(26)13-29-17)23(34)32(9-4-10-33)24(35)31(22)2;1-17-8-6-11-19(14-17)21-16-26-23-22(20(21)15-18-9-4-3-5-10-18)24(30)28(12-7-13-29)25(31)27(23)2/h3,5-10,14-15,33H,4,11-13H2,1-2H3;3,5-10,13-14,22,33-34H,4,11-12H2,1-2H3;3,5-8,11,13-14,33H,4,9-10,12H2,1-2H3;3-6,8-11,14,16,29H,7,12-13,15H2,1-2H3.

What are the key properties of 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(5-chloro-2-pyridinyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[hydroxy-(4-methylphenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?

5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(5-chloro-2-pyridinyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[hydroxy-(4-methylphenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 1963.86 g/mol, XLogP of 14.63, 29 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[(5-chloro-2-pyridinyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-[hydroxy-(4-methylphenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 158260426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).